triethyl-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium methanoate

Systemtic Name: triethyl-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium methanoate Openeye Name: triethyl-(2-hydroxy-3-octadecanoyloxy-propyl)ammonium formate CAS Name: triethyl-[2-hydroxy-3-(1-oxooctadecoxy)propyl]ammonium formate IUPAC Name: triethyl-(2-hydroxy-3-octadecanoyloxypropyl)azanium formate Traditional Name: triethyl-(2-hydroxy-3-stearoyloxy-propyl)ammonium formate Formula: C28H57NO5 MolecularWeight: 487.75588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](CC)(CC)CC)O.C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](CC)(CC)CC)O.C(=O)[O-]

InChI

InChI=1S/C27H56NO3.CH2O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28(6-2,7-3)8-4;2-1-3/h26,29H,5-25H2,1-4H3;1H,(H,2,3)/q+1;/p-1